Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MCL1 | Q07820 | 2/20 | 0.40 |
| ▸ | ACMSD | Q8TDX5 | 1/20 | 0.40 |
| ▸ | PPARG | P37231 | 7/20 | 0.38 |
| ▸ | PPARA | Q07869 | 7/20 | 0.38 |
| ▸ | CA12 | O43570 | 2/20 | 0.37 |
| ▸ | CA1 | P00915 | 2/20 | 0.37 |
| ▸ | CA2 | P00918 | 2/20 | 0.37 |
| ▸ | CA9 | Q16790 | 2/20 | 0.37 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.36 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.36 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.36 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.35 |
| ▸ | PPARD | Q03181 | 1/20 | 0.35 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL17847514 | 0.82 | CA12 (0.44) | MCL1ACMSDPPARGPPARACA12 | |
| SCHEMBL17847471 | 0.80 | PPARG (0.41) | MCL1ACMSDPPARGPPARACA12 | |
| SCHEMBL17847484 | 0.80 | MCL1 (0.43) | MCL1ACMSDPPARGPPARACA12 | |
| SCHEMBL17847460 | 0.80 | MCL1 (0.43) | MCL1ACMSDPPARGPPARACA12 | |
| SCHEMBL19713022 | 0.72 | CYP3A4 (0.36) | CYP3A4ALDH1A1HPGDTDP1 | |
| SCHEMBL5971050 | 0.72 | CYP3A4 (0.47) | MCL1PPARGPPARACA12CA1 | |
| SCHEMBL11716452 | 0.71 | CYP3A4 (0.39) | CYP3A4ALDH1A1HPGDTDP1CYP2C19 | |
| SCHEMBL21898373 | 0.70 | MEN1 (0.49) | MCL1ACMSDPPARGPPARACA12 | |
| SCHEMBL623608 | 0.69 | CYP3A4 (0.52) | CYP3A4ALDH1A1HPGDTDP1 | |
| SCHEMBL11493334 | 0.69 | CYP3A4 (0.55) | CYP3A4ALDH1A1HPGDTDP1CYP1A2 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3233791-A1 | MOISTURE-STABLE HOLOGRAPHIC MEDIA | Covestro Deutschland AG (DE) | 2017-10-25 | — | — | EP | disclosed |
| WO-2016096641-A1 | MOISTURE-STABLE HOLOGRAPHIC MEDIA | COVESTRO DEUTSCHLAND AG (DE) | 2016-06-23 | — | — | WO | disclosed |